SCHEMBL4065606

SCHEMBL4065606

CCCCCc1ccc2cc(O)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.63
CYP3A4 P08684 3/20 0.63
ESR1 P03372 2/20 0.63
ADRA2A P08913 2/20 0.63
ADORA3 P0DMS8 2/20 0.63
TACR2 P21452 2/20 0.63
SLC6A2 P23975 2/20 0.63
SLC6A4 P31645 2/20 0.63
SLC6A3 Q01959 2/20 0.63
TP53 P04637 2/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
SHBG P04278 1/20 0.63
HSPD1 P10809 1/20 0.63
ADRB3 P13945 1/20 0.63
HTR2C P28335 1/20 0.63
HSPE1 P61604 1/20 0.63
HIF1A Q16665 1/20 0.63
TST Q16762 1/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2049841 0.98 PTGS2 (0.67) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL2047392 0.98 PTGS2 (0.67) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL9698501 0.98 PTGS2 (0.67) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL2046991 0.98 PTGS2 (0.67) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL2050474 0.98 PTGS2 (0.67) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL9700041 0.98 PTGS2 (0.67) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL29946510 0.94 PTGS2 (0.55) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL2048075 0.94 PTGS2 (0.55) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL20335366 0.93 PTGS2 (0.65) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL6563401 0.88 BDKRB2 (0.55) PTGS2CYP3A4ESR1ADRA2AADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247608-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-10 WO disclosed
EP-2075245-B1 Two-photon probe for real-time monitoring of intracellular calcium ions, method for preparing the probe and method for real-time monitoring of intracellular calcium ions using the probe UNIV KOREA IND & ACAD COOP (KR) 2014-12-31 EP disclosed
EP-2075245-A2 Two-photon probe for real-time monitoring of intracellular calcium ions, method for preparing the probe and method for real-time monitoring of intracellular calcium ions using the probe Korea University Industry and Academy Cooperation Foundation (KR) 2009-07-01 EP disclosed
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 US disclosed
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP disclosed
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US disclosed
US-4814454-A ANTIALLERGENS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1989-03-21 US disclosed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP disclosed
EP-0196805-A1 Acylation of naphthalenes CELANESE CORPORATION (US) 1986-10-08 EP disclosed
US-4593125-A In anhydrous hydrogen fluoride CELANESE CORPORATION (US) 1986-06-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM PTGS2 1398/4885CYP3A4 2999/4885ESR1 392/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.